N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1-oxopentylamino)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(valerylamino)benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O4S2/c1-3-4-5-18(24)21-14-8-6-13(7-9-14)19(25)23-20-22-16-11-10-15(29(2,26)27)12-17(16)28-20/h6-12H,3-5H2,1-2H3,(H,21,24)(H,22,23,25)